ChemSpider 2D Image | (S)-norcoclaurinium(1+) | C16H18NO3

(S)-norcoclaurinium(1+)

  • Molecular FormulaC16H18NO3
  • Average mass272.319 Da
  • Monoisotopic mass272.128113 Da
  • ChemSpider ID26331097

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S)-6,7-Dihydroxy-1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisochinolinium [German] [ACD/IUPAC Name]
(1S)-6,7-Dihydroxy-1-(4-hydroxybenzyl)-1,2,3,4-tétrahydroisoquinoléinium [French] [ACD/IUPAC Name]
(1S)-6,7-Dihydroxy-1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinolinium [ACD/IUPAC Name]
(S)-norcoclaurinium(1+)
6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-, conjugate acid, (1S)- [ACD/Index Name]
(S)-norcoclaurine
(S)-norcoclaurinium
(S)-norcoclaurinium cation
1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6,7-isoquinolinediol

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:58253 [DBID]
  • Miscellaneous

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 522.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 209.6±20.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): -1.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.21
Polar Surface Area: 77 Å2
Polarizability:
Surface Tension:
Molar Volume:

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